3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | Y042-8767 |
| Compound Name: | 3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C24 H29 N O5 |
| Smiles: | C1CCC2(CCN(CC2C1)C(COc1ccc2C3CCCCC=3C(=O)Oc2c1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1144 |
| logD: | 3.1144 |
| logSw: | -3.3416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.573 |
| InChI Key: | QQIHCFGOCLDCLG-UHFFFAOYSA-N |